1-[(1S)-1-[(2R)-oxolan-2-yl]propyl]-3-(quinolin-6-ylmethyl)urea

C18H23N3O2 — CID 99840950

IUPAC1-[(1S)-1-[(2R)-oxolan-2-yl]propyl]-3-(quinolin-6-ylmethyl)urea
SMILESCC[C@H](NC(=O)NCc1ccc2ncccc2c1)[C@H]1CCCO1
InChIInChI=1S/C18H23N3O2/c1-2-15(17-6-4-10-23-17)21-18(22)20-12-13-7-8-16-14(11-13)5-3-9-19-16/h3,5,7-9,11,15,17H,2,4,6,10,12H2,1H3,(H2,20,21,22)/t15-,17+/m0/s1
InChIKeyRXYJCGMQXSQMRV-DOTOQJQBSA-N
MW313.40 g/mol
LogP2.99
Rot. Bonds5

About 1-[(1S)-1-[(2R)-oxolan-2-yl]propyl]-3-(quinolin-6-ylmethyl)urea

1-[(1S)-1-[(2R)-oxolan-2-yl]propyl]-3-(quinolin-6-ylmethyl)urea (PubChem CID 99840950) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-[(1S)-1-[(2R)-oxolan-2-yl]propyl]-3-(quinolin-6-ylmethyl)urea.

Molecular Properties

Compound Name1-[(1S)-1-[(2R)-oxolan-2-yl]propyl]-3-(quinolin-6-ylmethyl)urea
PubChem CID99840950
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-[(1S)-1-[(2R)-oxolan-2-yl]propyl]-3-(quinolin-6-ylmethyl)urea
SMILESCC[C@H](NC(=O)NCc1ccc2ncccc2c1)[C@H]1CCCO1
InChIInChI=1S/C18H23N3O2/c1-2-15(17-6-4-10-23-17)21-18(22)20-12-13-7-8-16-14(11-13)5-3-9-19-16/h3,5,7-9,11,15,17H,2,4,6,10,12H2,1H3,(H2,20,21,22)/t15-,17+/m0/s1
InChIKeyRXYJCGMQXSQMRV-DOTOQJQBSA-N
XLogP2.99
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-[(2R)-oxolan-2-yl]propyl]-3-(quinolin-6-ylmethyl)urea
CID 99840951
1-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-(quinolin-6-ylmethyl)urea
CID 99840657
1-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-3-(pyridin-3-ylmethyl)urea
CID 94149059
1-[(1S,2R)-2-(2-hydroxyethyl)cyclopentyl]-3-(quinolin-6-ylmethyl)urea
CID 124627250
1-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-[1-(oxolan-2-yl)propyl]urea
CID 75390001
1-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea
CID 97244222
N,N-dimethyl-3-[[1-(oxolan-2-yl)propylamino]methyl]benzamide
CID 75521396
2,2-dimethyl-N-(quinolin-6-ylmethyl)propanamide
CID 110470774
1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 94059341
N-[(2,2-dimethyl-1,3-benzodioxol-5-yl)methyl]quinoline-6-carboxamide
CID 143817195
N-[1-(oxolan-2-yl)propyl]acetamide
CID 130615261
1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
CID 115768543

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[(2R)-oxolan-2-yl]propyl]-3-(quinolin-6-ylmethyl)urea?
The IUPAC name of 1-[(1S)-1-[(2R)-oxolan-2-yl]propyl]-3-(quinolin-6-ylmethyl)urea (CID 99840950) is 1-[(1S)-1-[(2R)-oxolan-2-yl]propyl]-3-(quinolin-6-ylmethyl)urea.
What is the SMILES notation for 1-[(1S)-1-[(2R)-oxolan-2-yl]propyl]-3-(quinolin-6-ylmethyl)urea?
The canonical SMILES for 1-[(1S)-1-[(2R)-oxolan-2-yl]propyl]-3-(quinolin-6-ylmethyl)urea is CC[C@H](NC(=O)NCc1ccc2ncccc2c1)[C@H]1CCCO1.
What is the InChIKey of 1-[(1S)-1-[(2R)-oxolan-2-yl]propyl]-3-(quinolin-6-ylmethyl)urea?
The InChIKey is RXYJCGMQXSQMRV-DOTOQJQBSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-2-15(17-6-4-10-23-17)21-18(22)20-12-13-7-8-16-14(11-13)5-3-9-19-16/h3,5,7-9,11,15,17H,2,4,6,10,12H2,1H3,(H2,20,21,22)/t15-,17+/m0/s1.
What are the key properties of 1-[(1S)-1-[(2R)-oxolan-2-yl]propyl]-3-(quinolin-6-ylmethyl)urea?
1-[(1S)-1-[(2R)-oxolan-2-yl]propyl]-3-(quinolin-6-ylmethyl)urea has a molecular weight of 313.40 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-[(2R)-oxolan-2-yl]propyl]-3-(quinolin-6-ylmethyl)urea is sourced from PubChem (CID 99840950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).